calculate_spectral_entropy

Calculate spectral entropy of a spectrum

Clean the MS/MS spectrum, calculate spectral entropy, unweighted entropy similarity, and entropy similarity for mass spectrometry data. The entropy similarity is a novel similarity measure for MS/MS spectra which outperform the widely used dot product similarity in compound identification. For more details, please refer to the paper: Yuanyue Li et al. (2021) "Spectral entropy outperforms MS/MS dot product similarity for small-molecule compound identification" <doi:10.1038/s41592-021-01331-z>.

Yuanyue Li

msentropy

Spectral Entropy for Mass Spectrometry Data

calculate_spectral_entropy function

<dl><dt>peaks</dt>
<dd>A matrix of peaks, with two columns: m/z and intensity.</dd></dl>

Arguments

Calculate spectral entropy of a spectrum — calculate_spectral_entropy

<dl>

<dt>peaks</dt>
<dd>A matrix of peaks, with two columns: m/z and intensity.</dd>

</dl>

calculate_spectral_entropy: Calculate spectral entropy of a spectrum

Description

Usage

Value

Arguments

Examples